Tiamdipine
TL;DR: Tiamdipine (CAS 110646-15-6) is a chemical compound with molecular formula C20H25N3O6S and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Tiamdipine, 3-O-ethyl 5-O-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-(2-Aminoethylthio)methyl-3-carboethoxy-5-carbomethoxy-6-methyl-4-(3-nitrophenyl-1,4-dihydropyridine), 3-O-ethyl 5-O-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl, 3,5-Pyridinedicarboxylic acid, 2-(((2-aminoethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester
| Molecular Formula | C20H25N3O6S |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 2.2377 |
| Topological Polar Surface Area | 133.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.1464 |
| Heavy Atoms | 30 |
| Complexity | 896.2829 |
Chemical Identifiers
| CAS Number | 110646-15-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCCN |
Product Overview
Tiamdipine (CAS 110646-15-6), with molecular formula C20H25N3O6S and molecular weight 435.15 g/mol. IUPAC: 3-O-ethyl 5-O-methyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Tiamdipine
Property Insights of Tiamdipine
The XLogP value of 2.2377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tiamdipine. The TPSA of 133.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiamdipine. Following Lipinski's Rule of Five, Tiamdipine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tiamdipine?
The CAS number of Tiamdipine is 110646-15-6.
What is the molecular formula of Tiamdipine?
The molecular formula of Tiamdipine is C20H25N3O6S.
What is the molecular weight of Tiamdipine?
The molecular weight of Tiamdipine is 435.15 g/mol.
Where can I buy Tiamdipine?
You can request a quote for Tiamdipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiamdipine?
Yes, KEHONG BIO provides custom synthesis services for Tiamdipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.